| SpectraBase Spectrum ID |
6OCoSIacUfe |
| Name |
1,2-Hexanediol, 6-(1H-pyrrol-1-yl)-, 1-(4-methylbenzenesulfonate) |
| CAS Registry Number |
106681-46-3 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H23NO4S |
| InChI |
InChI=1S/C17H23NO4S/c1-15-7-9-17(10-8-15)23(20,21)22-14-16(19)6-2-3-11-18-12-4-5-13-18/h4-5,7-10,12-13,16,19H,2-3,6,11,14H2,1H3 |
| InChIKey |
ZVWPZGSGAFLBPV-UHFFFAOYSA-N |
| Molecular Weight |
337.434 g/mol |
| SMILES |
OC(COS(c1ccc(cc1)C)(=O)=O)CCCC[n]1cccc1 |
| SPLASH |
splash10-001i-9400000000-455daa317d96e7979fc9 |
| Source of Spectrum |
J-52-824-0 |
| Synonyms |
2-Hydroxy-6-(1H-pyrrol-1-yl)hexyl 4-methylbenzenesulfonate
2-Methyl-5-N-pyrrolylpentane-2,3-diol 3-p-toluene-sulfonate
6-N-pyrrolyhexane-1,2-diol 1-p-toluenesulfonate |
| Wiley ID |
1333019 |
